1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone

C15H19NO — CID 116580664

IUPAC1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone
SMILESNC1C2CCC(C2)C1C(=O)Cc1ccccc1
InChIInChI=1S/C15H19NO/c16-15-12-7-6-11(9-12)14(15)13(17)8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9,16H2
InChIKeyTUZQTYBLIXEYHP-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.17
Rot. Bonds3

About 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone

1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone (PubChem CID 116580664) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone
PubChem CID116580664
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone
SMILESNC1C2CCC(C2)C1C(=O)Cc1ccccc1
InChIInChI=1S/C15H19NO/c16-15-12-7-6-11(9-12)14(15)13(17)8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9,16H2
InChIKeyTUZQTYBLIXEYHP-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone
CID 116580665
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanone
CID 116580716
3-amino-N-methyl-N-(2-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 84584219
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116580920
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116580777
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 13202626
2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone
CID 102493634
3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119849953
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 119754744
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119707661
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119719010
(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 43865924

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone?
The IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone (CID 116580664) is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone.
What is the SMILES notation for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone?
The canonical SMILES for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone is NC1C2CCC(C2)C1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone?
The InChIKey is TUZQTYBLIXEYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c16-15-12-7-6-11(9-12)14(15)13(17)8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9,16H2.
What are the key properties of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone?
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone has a molecular weight of 229.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-phenylethanone is sourced from PubChem (CID 116580664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).